SCHEMBL13224018

SCHEMBL13224018

COC(=O)CCCCOc1cc(CO)cc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.44
▸ PDE3A Q14432 3/20 0.44
▸ P2RY12 Q9H244 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CNR2 P34972 10/20 0.43
▸ CNR1 P21554 10/20 0.43
▸ PDE2A O00408 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ LTB4R Q15722 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2493222 0.95 MAPT (0.47) PDE3BPDE3AP2RY12TSHRCNR2
SCHEMBL3417582 0.84 MAPT (0.38) TSHRCNR2CNR1MAPTLTA4H
SCHEMBL13008060 0.82 MAPT (0.47) PDE3BPDE3AP2RY12TSHRPDE2A
SCHEMBL25455345 0.82 CNR2 (0.46) CNR2CNR1HDAC8
SCHEMBL12212283 0.81 TSHR (0.48) PDE3BPDE3AP2RY12TSHRMAPT
SCHEMBL16092470 0.80 ACHE (0.40) CNR2CNR1
SCHEMBL7413008 0.80 SMN1; SMN2 (0.49) PDE3BPDE3AP2RY12TSHRMAPT
SCHEMBL24132762 0.80 MAPT (0.49) PDE3BPDE3AP2RY12TSHRCNR2
SCHEMBL25456638 0.80 CNR2 (0.52) TSHRCNR2CNR1MAPT
SCHEMBL13224054 0.80 HDAC8 (0.42) PDE3BPDE3AP2RY12TSHRCNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-08-05 — — US disclosed
US-10947315-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-03-16 — — US disclosed
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-12 — — US disclosed
US-10208127-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-02-19 — — US disclosed
EP-3100745-B1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2018-04-18 — — EP disclosed
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2018-03-22 — — US disclosed
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2018-03-22 — — US disclosed
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-06-29 — — US disclosed
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-06-29 — — US disclosed
US-9550787-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-01-24 — — US disclosed
US-8802667-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-12 — — US disclosed
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-11-14 — — US disclosed
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-11-14 — — US disclosed
US-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-10-10 — — US disclosed
US-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-10-10 — — US disclosed
US-8426402-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2013-04-23 — — US disclosed
US-8426402-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2013-04-23 — — US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 — — US disclosed
WO-2010091150-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2010-08-12 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 PDE3B 2043/4885PDE3A 2948/4885P2RY12 1571/4885
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 PDE3B 2043/4885PDE3A 2948/4885P2RY12 1571/4885
US-10208127-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 PDE3B 1756/4885PDE3A 2675/4885P2RY12 1588/4885
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 PDE3B 2043/4885PDE3A 2948/4885P2RY12 1571/4885
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 PDE3B 2043/4885PDE3A 2948/4885P2RY12 1571/4885
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 PDE3B 2043/4885PDE3A 2948/4885P2RY12 1571/4885
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 PDE3B 2043/4885PDE3A 2948/4885P2RY12 1571/4885
US-10947315-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 PDE3B 1756/4885PDE3A 2675/4885P2RY12 1588/4885
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 PDE3B 2043/4885PDE3A 2948/4885P2RY12 1571/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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